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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:04:37 UTC
Update Date2022-03-07 02:55:53 UTC
HMDB IDHMDB0038738
Secondary Accession Numbers
  • HMDB38738
Metabolite Identification
Common NameEthyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]
DescriptionEthyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review a small amount of articles have been published on Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside].
Structure
Data?1563863249
Synonyms
ValueSource
Ethyl 3-hydroxyoctanoic acid O-[glucosyl-(1->6)-glucoside]Generator
Ethyl 3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}octanoic acidGenerator
Chemical FormulaC22H40O13
Average Molecular Weight512.5452
Monoisotopic Molecular Weight512.246891366
IUPAC Nameethyl 3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}octanoate
Traditional Nameethyl 3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}octanoate
CAS Registry NumberNot Available
SMILES
CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChI Identifier
InChI=1S/C22H40O13/c1-3-5-6-7-11(8-14(24)31-4-2)33-22-20(30)18(28)16(26)13(35-22)10-32-21-19(29)17(27)15(25)12(9-23)34-21/h11-13,15-23,25-30H,3-10H2,1-2H3
InChI KeyQAIPLYVRKVVKMO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acyl glycosides
Direct ParentFatty acyl glycosides of mono- and disaccharides
Alternative Parents
Substituents
  • Fatty acyl glycoside of mono- or disaccharide
  • Alkyl glycoside
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Fatty acid ester
  • Oxane
  • Carboxylic acid ester
  • Secondary alcohol
  • Acetal
  • Carboxylic acid derivative
  • Oxacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Primary alcohol
  • Carbonyl group
  • Alcohol
  • Organooxygen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility16 g/LALOGPS
logP-0.8ALOGPS
logP-1.6ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)11.91ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area204.83 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity116.14 m³·mol⁻¹ChemAxon
Polarizability52.57 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+215.13531661259
DarkChem[M-H]-212.99931661259
DeepCCS[M+H]+219.75130932474
DeepCCS[M-H]-217.10430932474
DeepCCS[M-2H]-252.1530932474
DeepCCS[M+Na]+228.31730932474
AllCCS[M+H]+221.032859911
AllCCS[M+H-H2O]+219.532859911
AllCCS[M+NH4]+222.332859911
AllCCS[M+Na]+222.732859911
AllCCS[M-H]-217.932859911
AllCCS[M+Na-2H]-219.332859911
AllCCS[M+HCOO]-221.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O3338.8Standard polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O3742.6Standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O3749.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TMS,isomer #1CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O3841.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TMS,isomer #2CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O3830.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TMS,isomer #3CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3790.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TMS,isomer #4CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3827.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TMS,isomer #5CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3854.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TMS,isomer #6CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3814.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TMS,isomer #7CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3852.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #1CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O3797.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #10CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3756.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #11CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3803.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #12CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3789.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #13CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3749.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #14CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3703.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #15CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3739.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #16CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3799.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #17CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3744.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #18CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3794.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #19CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3799.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #2CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3723.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #20CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3789.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #21CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3790.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #3CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3789.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #4CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3793.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #5CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3727.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #6CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3779.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #7CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3779.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #8CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3788.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TMS,isomer #9CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3808.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #1CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3656.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #10CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3665.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #11CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3617.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #12CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3657.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #13CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3632.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #14CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3637.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #15CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3635.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #16CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3686.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #17CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3654.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #18CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3606.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #19CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3646.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #2CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3670.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #20CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3671.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #21CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3629.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #22CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3665.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #23CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3671.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #24CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3670.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #25CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3667.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #26CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3660.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #27CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3610.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #28CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3653.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #29CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3603.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #3CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3669.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #30CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3610.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #31CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3599.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #32CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3646.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #33CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3649.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #34CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3645.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #35CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3682.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #4CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3619.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #5CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3660.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #6CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3658.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #7CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3612.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #8CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3579.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TMS,isomer #9CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3604.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #1CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3652.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #10CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3565.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #11CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3568.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #12CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3536.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #13CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3565.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #14CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3516.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #15CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3524.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #16CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3516.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #17CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3552.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #18CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3566.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #19CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3559.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #2CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3568.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #20CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3568.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #21CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3560.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #22CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3526.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #23CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3558.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #24CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3522.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #25CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3525.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #26CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3524.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #27CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3537.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #28CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3540.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #29CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3542.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #3CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3537.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #30CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3579.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #31CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3529.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #32CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3531.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #33CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3533.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #34CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3523.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #35CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3558.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #4CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3564.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #5CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3623.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #6CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3579.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #7CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3616.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #8CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3558.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],4TMS,isomer #9CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3573.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #1CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3580.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #10CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3514.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #11CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3496.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #12CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3494.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #13CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3492.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #14CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3485.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #15CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3504.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #16CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3488.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #17CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3484.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #18CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3482.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #19CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3481.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #2CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3561.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #20CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3486.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #21CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3480.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #3CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3571.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #4CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3496.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #5CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3494.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #6CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3491.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #7CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3554.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #8CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3564.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],5TMS,isomer #9CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3548.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #1CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O4049.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #2CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O4070.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #3CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O4026.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #4CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4052.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #5CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4080.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #6CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4051.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #7CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4076.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #1CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O4175.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #10CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4164.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #11CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4197.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #12CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4176.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #13CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4144.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #14CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4123.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #15CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4132.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #16CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4176.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #17CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4134.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #18CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4169.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #19CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4203.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #2CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O4124.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #20CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4203.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #21CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4211.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #3CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4166.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #4CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4175.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #5CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4128.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #6CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4167.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #7CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O4171.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #8CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4176.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #9CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4207.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #1CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O4267.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #10CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4260.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #11CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4244.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #12CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4253.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #13CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4260.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #14CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4253.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #15CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4259.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #16CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4309.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #17CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4294.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #18CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4293.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #19CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4290.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #2CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4276.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #20CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4299.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #21CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4290.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #22CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4296.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #23CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4326.1Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #24CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4317.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #25CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4327.6Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #26CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4307.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #27CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4298.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #28CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4304.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #29CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4300.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #3CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4273.2Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #30CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4284.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #31CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4295.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #32CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4302.7Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #33CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4295.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #34CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4303.9Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #35CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4346.5Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #4CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4260.8Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #5CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4267.3Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #6CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4268.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #7CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4251.0Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #8CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4257.4Semi standard non polar33892256
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #9CCCCCC(CC(=O)OCC)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4235.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] GC-MS (Non-derivatized) - 70eV, Positivesplash10-00kg-3401900000-cabc6ea1c86794f72c3a2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] GC-MS (2 TMS) - 70eV, Positivesplash10-00ku-3313139000-516e98c0193810e023332017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] 10V, Positive-QTOFsplash10-01w1-1901420000-062de7dd0c517e770ba82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] 20V, Positive-QTOFsplash10-0079-2901000000-de834c97953b44a6a89a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] 40V, Positive-QTOFsplash10-01w0-5900000000-7fede9c9363ae65060d72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] 10V, Negative-QTOFsplash10-03y0-3912330000-85c2bf957a3a8a5124bf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] 20V, Negative-QTOFsplash10-000l-3900100000-c93796d13452737ca4c12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] 40V, Negative-QTOFsplash10-000i-5900000000-19c53c7741ea42c41d0c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] 10V, Positive-QTOFsplash10-03dj-7916780000-ec47c1a1ab2956cf13dd2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] 20V, Positive-QTOFsplash10-0002-7912110000-25b5ccd1e0c39c34debe2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] 40V, Positive-QTOFsplash10-0a4m-9410100000-324aa80e3bea416fd3502021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] 10V, Negative-QTOFsplash10-02t9-1001930000-7352d2039f5b724daa0d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] 20V, Negative-QTOFsplash10-08g3-9113840000-34bece0c317203d7259f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] 40V, Negative-QTOFsplash10-0btd-9411100000-ec14ab44753da9208a872021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB018149
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound73981596
PDB IDNot Available
ChEBI ID168026
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.